SCHEMBL10874728

SCHEMBL10874728

CC(=O)Oc1c(I)cc(I)cc1C(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ TTR P02766 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ TOP1 P11387 2/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PREP P48147 2/20 0.30
▸ CELA1 Q9UNI1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18290075 0.75 POLB (0.48) POLBNLRP3TTRABCB11TOP1
SCHEMBL10875516 0.75 POLB (0.58) POLBNLRP3TTRABCB11TOP1
SCHEMBL10874720 0.75 POLB (0.48) POLBNLRP3TTRABCB11TOP1
SCHEMBL4317657 0.72 POLB (0.56) POLBNLRP3TTRTOP1BACE1
SCHEMBL18290079 0.72 POLB (0.46) POLBNLRP3TTRTOP1BACE1
SCHEMBL22991510 0.70 POLB (0.44) POLBNLRP3TTRABCB11TOP1
SCHEMBL14136180 0.69 LMNA (0.43) POLBNLRP3ABCB11TOP1BACE1
SCHEMBL25941557 0.68 POLB (0.42) POLBNLRP3TTRTOP1BACE1
SCHEMBL6363949 0.67 POLB (0.43) POLBNLRP3ABCB11TOP1BACE1
SCHEMBL4644625 0.67 POLB (0.47) POLBNLRP3ABCB11TOP1BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4565888-A Substituted salicylic acid amide anthelmintics BAYER AKTIENGESELLSCHAFT (DE) 1986-01-21 — — US disclosed
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